Hartree-Fock
In computational physics, the Hartree-Fock calculation scheme is a self-consistent iterative procedure to calculate the best possible single determinant solution to the Schrödinger equation. As a consequence to this, whilst it calculates the exchange energy exactly, it does not calculate the effect of electron correlation at all.
It is often used in the same area of calculations as density functional theory, which can give approximate solutions to both exchange and correlation energies, although it is not based on a quantum mechanical solution. Indeed, it is common to use calculations that are a hybrid of the two methods - the popular B3LYP schema is one such.
Referenced By
Computational chemistry | Coupled cluster | Density functional theory | Quantum chemistry | Quantuum chemistry | Schrodinger's equation | Schrodinger equation | Schrodinger wave equation | Schrodingers equation | Schroedinger's equation | Schroedinger equation | Schrödinger Wave Equation | Schrödinger equation
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